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methyl 2-oxo-1-((phenylseleno)methyl)cyclooctane-1-carboxylate
SpectraBase Compound ID BwdUqJx0a08
InChI InChI=1S/C17H22O3Se/c1-20-16(19)17(12-8-3-2-7-11-15(17)18)13-21-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKey SGGMNJQYLGEVHB-UHFFFAOYSA-N
Mol Weight 353.33 g/mol
Molecular Formula C17H22O3Se
Exact Mass 354.073417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsyT0IQPjKs
Name methyl 2-oxo-1-((phenylseleno)methyl)cyclooctane-1-carboxylate
Alternate Name(s) methyl 2-oxo-1-[(phenylselanyl)methyl]cyclooctanecarboxylate
CAS Registry Number 112211-76-4
Comments Less than 3 mono-isotopic peaks
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Formula C17H22O3Se
InChI InChI=1S/C17H22O3Se/c1-20-16(19)17(12-8-3-2-7-11-15(17)18)13-21-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKey SGGMNJQYLGEVHB-UHFFFAOYSA-N
Molecular Weight 353.332 g/mol
SMILES C1(C(=O)OC)(C[Se]c2ccccc2)C(=O)CCCCCC1
SPLASH splash10-0udj-0609000000-98f76b8dfd041c990e29
Source of Spectrum C-110-2571-34
Wiley ID 1344370